N-(3-fluoropropyl)-2-methylthiolan-3-amine

C8H16FNS — CID 130171857

IUPACN-(3-fluoropropyl)-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCCF
InChIInChI=1S/C8H16FNS/c1-7-8(3-6-11-7)10-5-2-4-9/h7-8,10H,2-6H2,1H3
InChIKeyJTPSVEPANHHLEN-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.83
Rot. Bonds4

About N-(3-fluoropropyl)-2-methylthiolan-3-amine

N-(3-fluoropropyl)-2-methylthiolan-3-amine (PubChem CID 130171857) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-methylthiolan-3-amine
PubChem CID130171857
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC NameN-(3-fluoropropyl)-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCCF
InChIInChI=1S/C8H16FNS/c1-7-8(3-6-11-7)10-5-2-4-9/h7-8,10H,2-6H2,1H3
InChIKeyJTPSVEPANHHLEN-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methylthiolan-3-amine
CID 16793953
2-(4,4,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 17909984
1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfanylpentan-3-amine
CID 21714888
(2R)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
CID 54181494
(2S)-2-(4,4,5,5,5-pentafluoropentylthiomethyl)-pyrrolidine
CID 57069197
2-(1,1,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 70118341
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
2-(2,3,4,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154974
(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
CID 144798199
(2S)-1,1,1-trifluoro-N-[(2S)-4-(3,3,3-trifluoropropylsulfanyl)butan-2-yl]butan-2-amine
CID 149317784
N-(2,2,2-Trifluoroethyl)tetrahydrothiophen-3-amine
CID 24705029
N'-methyl-N'-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559627

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2-methylthiolan-3-amine?
The IUPAC name of N-(3-fluoropropyl)-2-methylthiolan-3-amine (CID 130171857) is N-(3-fluoropropyl)-2-methylthiolan-3-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2-methylthiolan-3-amine?
The canonical SMILES for N-(3-fluoropropyl)-2-methylthiolan-3-amine is CC1SCCC1NCCCF.
What is the InChIKey of N-(3-fluoropropyl)-2-methylthiolan-3-amine?
The InChIKey is JTPSVEPANHHLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-7-8(3-6-11-7)10-5-2-4-9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(3-fluoropropyl)-2-methylthiolan-3-amine?
N-(3-fluoropropyl)-2-methylthiolan-3-amine has a molecular weight of 177.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-methylthiolan-3-amine is sourced from PubChem (CID 130171857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).